3-[(1S)-cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one

C10H13NO3 — CID 14907282

IUPAC3-[(1S)-cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)[C@@H]1CC=CCC1
InChIInChI=1S/C10H13NO3/c12-9(8-4-2-1-3-5-8)11-6-7-14-10(11)13/h1-2,8H,3-7H2/t8-/m1/s1
InChIKeyUNTURUXRDCLOOJ-MRVPVSSYSA-N
MW195.22 g/mol
LogP1.32
Rot. Bonds1

About 3-[(1S)-cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one

3-[(1S)-cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 14907282) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-[(1S)-cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(1S)-cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
PubChem CID14907282
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name3-[(1S)-cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)[C@@H]1CC=CCC1
InChIInChI=1S/C10H13NO3/c12-9(8-4-2-1-3-5-8)11-6-7-14-10(11)13/h1-2,8H,3-7H2/t8-/m1/s1
InChIKeyUNTURUXRDCLOOJ-MRVPVSSYSA-N
XLogP1.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(1S)-cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one (CID 14907282) is 3-[(1S)-cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(1S)-cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(1S)-cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one is O=C1OCCN1C(=O)[C@@H]1CC=CCC1.
What is the InChIKey of 3-[(1S)-cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is UNTURUXRDCLOOJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13NO3/c12-9(8-4-2-1-3-5-8)11-6-7-14-10(11)13/h1-2,8H,3-7H2/t8-/m1/s1.
What are the key properties of 3-[(1S)-cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
3-[(1S)-cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 195.22 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 14907282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).